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Browsing by Author DeSnoo, William

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Showing results 21 to 40 of 94 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
29-Aug-2023	D	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-4610.59652834; Eh
28-Oct-2022	D2_biphenyl	DeSnoo, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2SVP	-462.9748832; Eh
28-Oct-2022	D2h_Biphenyl	DeSnoo, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	DEF2SVP	-462.9713884; Eh
29-Aug-2023	D_NoZnCl2Cs2F2	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1671.78471078; Eh
5-Jul-2023	E	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	DEF2SVP	-7963.61180262; Eh
29-Aug-2023	E	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-4610.58856545; Eh
29-Aug-2023	E_NoZnCl2Cs2F2	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1671.75926542; Eh
5-Jul-2023	F	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	DEF2SVP	-7963.61211475; Eh
29-Aug-2023	F	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RPBE1PBE	DEF2SVP	-958.384240729; Eh
14-Nov-2023	freq_Pd_H_Ph_IM3	DeSnoo, William	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RPBE1PBE	DEF2SVP	-2240.38486935; Eh
5-Jul-2023	G	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	DEF2SVP	-7963.58814880; Eh
29-Aug-2023	G	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-4610.60623132; Eh
29-Aug-2023	G_NoZnCl2Cs2F2	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1671.78339934; Eh
5-Jul-2023	H	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	DEF2SVP	-7963.60184020; Eh
29-Aug-2023	H	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-4610.58680997; Eh
14-Nov-2023	H2	DeSnoo, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1.16399394397; Eh
29-Aug-2023	H_NoZnCl2Cs2F2	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1671.75086358; Eh
14-Nov-2023	HNEt2	DeSnoo, William	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-213.388747125; Eh
5-Jul-2023	I	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	DEF2SVP	-7963.60704751; Eh
29-Aug-2023	I	DeSnoo, William	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-958.377129759; Eh

Showing results 21 to 40 of 94 < previous next >